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  1. from libcpp cimport bool
  2. from Types cimport *
  3. from String cimport *
  4. from Residue cimport *
  5. from EmpiricalFormula cimport *
  6. from Ribonucleotide cimport *
  7. from Map cimport *
  8.  
  9. cdef extern from "<OpenMS/CHEMISTRY/NASequence.h>" namespace "OpenMS":
  10.  
  11. ctypedef Ribonucleotide RibonucleotideChainEnd
  12.  
  13. cdef cppclass NASequence "OpenMS::NASequence":
  14.  
  15.  
  16.  
  17. # wrap-hash:
  18. # toString().c_str()
  19. #
  20. # wrap-doc:
  21. # Representation of an RNA sequence
  22. # This class represents nucleic acid sequences in OpenMS. An NASequence
  23. # instance primarily contains a sequence of ribonucleotides.
  24.  
  25. NASequence() nogil except +
  26. NASequence(NASequence) nogil except + # wrap-ignore
  27.  
  28. bool operator==(const NASequence & rhs) nogil except +
  29. bool operator!=(const NASequence & rhs) nogil except +
  30. bool operator<(const NASequence & rhs) nogil except +
  31.  
  32. # POINTER # void setSequence(const libcpp_vector[ const Ribonucleotide *] & seq) nogil except +
  33. # POINTER # libcpp_vector[ Ribonucleotide * ] getSequence() nogil except +
  34. # POINTER # libcpp_vector[ Ribonucleotide * ] getSequence() nogil except +
  35. # POINTER # void set(size_t index, const Ribonucleotide * r) nogil except +
  36. # POINTER # Ribonucleotide * get(size_t index) nogil except +
  37. # POINTER # Ribonucleotide * operator[](size_t index) nogil except +
  38. # POINTER # Ribonucleotide * operator[](size_t index) nogil except +
  39.  
  40.  
  41.  
  42. # check if sequence is empty
  43. bool empty() nogil except +
  44.  
  45. void setSequence(const libcpp_vector[ const Ribonucleotide *] & seq) nogil except +
  46.  
  47. # returns the peptide as string with modifications embedded in brackets
  48. String toString() nogil except +
  49.  
  50. # sets the 5' modification
  51. void setFivePrimeMod(const RibonucleotideChainEnd * modification) nogil except +
  52.  
  53. # returns the name (ID) of the N-terminal modification, or an empty string if none is set
  54. const RibonucleotideChainEnd * getFivePrimeMod() nogil except +
  55.  
  56. # sets the 3' modification
  57. void setThreePrimeMod(const RibonucleotideChainEnd * modification) nogil except +
  58.  
  59. const RibonucleotideChainEnd * getThreePrimeMod() nogil except +
  60.  
  61. # returns the residue at position index
  62. Ribonucleotide get(Size index) nogil except +
  63.  
  64. # set the residue at position index
  65. void set(Size index, Ribonucleotide * r) nogil except +
  66.  
  67. # returns the formula of the peptide
  68. EmpiricalFormula getFormula() nogil except + # wrap-doc:convenience function with ResidueType=Full and charge = 0 by default
  69. EmpiricalFormula getFormula(NASFragmentType type_, Int charge) nogil except +
  70.  
  71. # returns the average weight of the peptide
  72. double getAverageWeight() nogil except +
  73. double getAverageWeight(NASFragmentType type_, Int charge) nogil except +
  74.  
  75. # returns the mono isotopic weight of the peptide
  76. double getMonoWeight() nogil except +
  77. double getMonoWeight(NASFragmentType type_, Int charge) nogil except +
  78.  
  79. # returns the number of residues
  80. Size size() nogil except +
  81.  
  82. # returns a peptide sequence of the first index residues
  83. NASequence getPrefix(Size length) nogil except +
  84.  
  85. # returns a peptide sequence of the last index residues
  86. NASequence getSuffix(Size length) nogil except +
  87.  
  88. # returns a peptide sequence of number residues, beginning at position index
  89. NASequence getSubsequence(Size start, Size length) nogil except +
  90.  
  91.  
  92. # COMMENT: wrap static methods
  93. cdef extern from "<OpenMS/CHEMISTRY/NASequence.h>" namespace "OpenMS::NASequence":
  94.  
  95.  
  96. # static members
  97. NASequence fromString(char* s) nogil except + # wrap-attach:NASequence
  98.  
  99. cdef extern from "<OpenMS/CHEMISTRY/NASequence.h>" namespace "OpenMS::NASequence":
  100. cdef enum NASFragmentType "OpenMS::NASequence::NASFragmentType":
  101. #wrap-attach:
  102. # NASequence
  103. Full
  104. Internal
  105. FivePrime
  106. ThreePrime
  107. AIon
  108. BIon
  109. CIon
  110. XIon
  111. YIon
  112. ZIon
  113. Precursor
  114. BIonMinusH20
  115. YIonMinusH20
  116. BIonMinusNH3
  117. YIonMinusNH3
  118. NonIdentified
  119. Unannotated
  120. WIon
  121. AminusB
  122. DIon
  123. SizeOfNASFragmentType
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